SCHEMBL29243244

SCHEMBL29243244

COC(=O)c1ccc(C(F)(F)F)cc1N(c1ccc(I)cc1)[SH](=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.50
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
KDM4E B2RXH2 5/20 0.36
MAPT P10636 2/20 0.36
SOS1 Q07889 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28510653 0.85 CFTR (0.47) CFTRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28906829 0.84 SLC6A4 (0.36) CFTRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL21176556 0.77 CFTR (0.57) CFTRKDM4EMAPTMRGPRX4ALDH1A1
SCHEMBL28616717 0.77 PTPN1 (0.33) CFTRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28906830 0.75 CFTR (0.55) CFTRKDM4EMAPTMRGPRX4ALDH1A1
SCHEMBL4949996 0.75 CFTR (0.57) CFTRTRPV1KDM4ESOS1ALDH1A1
SCHEMBL425243 0.73 CFTR (0.67) CFTRKDM4EMAPTSOS1MRGPRX4
SCHEMBL7550401 0.72 CFTR (0.57) CFTRKDM4EMAPTMRGPRX4ALDH1A1
SCHEMBL22263091 0.71 CFTR (0.73) CFTRKDM4EMAPTMRGPRX4ALDH1A1
SCHEMBL7554661 0.71 KMT2A (0.59) CFTRKDM4EMAPTALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112204008-B Sulfonylaminobenzamides and sulfonylaminobenzamide derivatives 奥索生物公司 2024-07-05 CN disclosed